아세로신

5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one

HCID 177696CAS 15835-74-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1O
InChIKey
BTMNGQCCCWTUQH-UHFFFAOYSA-N
분자식
C18H16O8
평균 분자량
360.3 g/mol
단동위원소 질량
360.08451747

개요

Acerosin is a trihydroxyflavone that is 5,7,3'-trihydroxyflavone with methoxy substituents at positions 6, 8 and 4' respectively. It has a role as a metabolite. It is a trihydroxyflavone and a trimethoxyflavone.

이름 및 식별자

우선 이름
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one
IUPAC
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxychromen-4-one
현지명
아세로신
영어명
Acerosin
분자식
C18H16O8
분자량
360.31

이름 및 동의어

Acerosin15835-74-2CHEBI:23825,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxychromen-4-one3',5,7-Trihydroxy-4',6,8-trimethoxyflavoneDTXSID301664065,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-oneRefChem:1072243DTXCID9088897CHEMBL33144975,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-chromen-4-one5,7,3'-trihydroxy-6,8,4'-trimethoxyflavone
이름 더 보기
아세로신4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-
C09982SCHEMBL12469965BTMNGQCCCWTUQH-UHFFFAOYSA-NBDBM50046951LMPK12111473XA177971Q271056525,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,8-dimethoxy-chromen-4-one

데이터베이스 식별자

CAS
15835-74-2
PubChem CID
177696
DTXSID
DTXSID30166406
ChEMBL
CHEMBL3314497
ChEBI
CHEBI:2382
Nikkaji
J14.309J

물성

구조 계산 물성

XLogP
2.6
극성 표면적
115 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
8
회전 가능 결합 수
4
무거운 원자 수
26

실험 및 물리화학적 성질

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Melting Point239 - 241 °C
Physical DescriptionSolid

화학 및 산업

약리 정보

Cellular LocationsMembrane

공급사1 곳

宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]

추가 설명

정의ChEBI: A trihydroxyflavone that is 5,7,3'-trihydroxyflavone with methoxy substituents at positions 6, 8 and 4' respectively.

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